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4H-1,3,4-benzoxadiazepin-5-one

4H-1,3,4-benzoxadiazepin-5-one structure

CAS No:
144760-61-2
Formula:
C8H6N2O2
Chemical Name:
4H-1,3,4-benzoxadiazepin-5-one
Synonyms:
1,3,4-benzoxadiazepin-5(4H)-one;144760-61-2;4,5-dihydro-1,3,4-benzoxadiazepin-5-one;NSC329262;MLS000720627;CHEMBL1440375;HMS2726C24;ZINC4089244;MFCD03618004;AKOS006276996;MCULE-2924633484;NSC-329262;SMR000336375;4,5-dihydrobenzo[f]-1,3,4-oxadiazepin-5-one;1W-0935

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4H-1,3,4-benzoxadiazepin-5-one Basic Attributes

Molecular Weight：

162.15 g/mol

Exact Mass：

162.042927438 g/mol

NSC Number：

329262

Characteristics

PSA：

50.7 Å²

XLogP3：

0.5165

Water Solubility：

16 [ug/mL]

Computed Properties

Molecular Weight:162.15
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:162.042927438
Monoisotopic Mass:162.042927438
Topological Polar Surface Area:50.7
Heavy Atom Count:12
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4H-1,3,4-benzoxadiazepin-5-one

Basic Attributes
Characteristics
Computed Properties

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